SCHEMBL8923388

SCHEMBL8923388

CN(C)c1c(-c2ccccc2)c[nH]c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LRRK2 Q5S007 1/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PARP1 P09874 1/20 0.40
MAPK1 P28482 2/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9858212 0.73 HTT (0.46) KDM4EMAPTHTTMEN1KMT2A
SCHEMBL8921531 0.70 ALDH1A1 (0.54) KDM4EMAPTHTTMEN1KMT2A
SCHEMBL29750764 0.69 CCNC (0.51) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL17024105 0.69 HNF4A (0.58) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1127003 0.68 GPR17 (0.54) KDM4EALDH1A1HSD17B10CYP1A2
SCHEMBL1330600 0.67 MAPT (0.48) KDM4EMAPTLRRK2ALDH1A1HPGD
SCHEMBL8920563 0.67 ALDH1A1 (0.70) KDM4EMAPTHTTSMN1; SMN2LRRK2
SCHEMBL1585807 0.67 RPA1 (0.51) KDM4EMAPTHTTMEN1KMT2A
SCHEMBL30532583 0.67 HTT (0.71) HTTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL30590664 0.66 PARP1 (0.42) KDM4EMAPTHTTMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5684160-A 3-aminopyrroles, methods for their synthesis and for their pharmaceutical use ARZNEIMETTELWERK DRESDEN GMBH (DE) 1997-11-04 US claimed
US-5502051-A CENTRAL NERVOUS SYSTEM, ANTISPASMODIC ARZNEIMITTELWERK DRESDEN GMBH (DE) 1996-03-26 US claimed
US-5684160-A 3-aminopyrroles, methods for their synthesis and for their pharmaceutical use ARZNEIMETTELWERK DRESDEN GMBH (DE) 1997-11-04 US disclosed
US-5502051-A CENTRAL NERVOUS SYSTEM, ANTISPASMODIC ARZNEIMITTELWERK DRESDEN GMBH (DE) 1996-03-26 US disclosed